2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine

C9H19N3S — CID 112660677

IUPAC2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine
SMILESCSCC(C)N(C)/C(N)=N/C1CC1
InChIInChI=1S/C9H19N3S/c1-7(6-13-3)12(2)9(10)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyZVJCMYYWOFPRMZ-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.15
Rot. Bonds4

About 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine

2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine (PubChem CID 112660677) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine
PubChem CID112660677
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine
SMILESCSCC(C)N(C)/C(N)=N/C1CC1
InChIInChI=1S/C9H19N3S/c1-7(6-13-3)12(2)9(10)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyZVJCMYYWOFPRMZ-UHFFFAOYSA-N
XLogP1.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 62362582
1-methyl-1-(1-methylsulfanylpropan-2-yl)-2-propylguanidine
CID 112660678
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
CID 62362135
2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 62363378
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
methyl N'-cyclopropylcarbamimidothioate;hydroiodide
CID 18622014
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 78967117

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine (CID 112660677) is 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine is CSCC(C)N(C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine?
The InChIKey is ZVJCMYYWOFPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(6-13-3)12(2)9(10)11-8-4-5-8/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine?
2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine has a molecular weight of 201.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine is sourced from PubChem (CID 112660677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).